3-methylpenta-1,2-dienyl 4-nitrobenzoate

Systemtic Name: 3-methylpenta-1,2-dienyl 4-nitrobenzoate Openeye Name: 3-methylpenta-1,2-dienyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-methylpenta-1,2-dienyl ester IUPAC Name: 3-methylpenta-1,2-dienyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-methylpenta-1,2-dienyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C=COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCC(=C=COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H13NO4/c1-3-10(2)8-9-18-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,9H,3H2,1-2H3